Tian Xie

4PUBLICATIONS
28CO-AUTHORS
Functional materialsNeural networksPolymerisation mechanisms
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Publications (4)

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|Jan 17, 2025
A generative model for inorganic materials design.

Claudio Zeni, Robert Pinsler, Daniel Zügner

|Nov 10, 2023
Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity.

Sheng Gong, Keqiang Yan, Tian Xie

|Oct 03, 2022
Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning.

Sheng Gong, Shuo Wang, Tian Xie

|Jun 14, 2022
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties.

Tian Xie, Arthur France-Lanord, Yanming Wang

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Frequent Collaborators

3 joint publications

Jeffrey C Grossman

2 joint publications

Rafael Gomez-Bombarelli

2 joint publications

Yang Shao-Horn

2 joint publications

Sheng Gong

1 joint publications

Arthur France-Lanord

1 joint publications

Yanming Wang

1 joint publications

Jeffrey Lopez

1 joint publications

Graham Michael Leverick

1 joint publications

Jeremiah A Johnson

1 joint publications

Woo Hyun Chae

Frequent Collaborators

3 joint publications

Jeffrey C Grossman

2 joint publications

Rafael Gomez-Bombarelli

2 joint publications

Yang Shao-Horn

2 joint publications

Sheng Gong

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